2,2-bis(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methylacetamide

C27H27F3N2O2 — CID 67673324

IUPAC2,2-bis(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methylacetamide
SMILESCN(C(=O)C(c1ccc(F)cc1)c1ccc(F)cc1)[C@H](CN1CC[C@H](O)C1)c1ccc(F)cc1
InChIInChI=1S/C27H27F3N2O2/c1-31(25(17-32-15-14-24(33)16-32)18-2-8-21(28)9-3-18)27(34)26(19-4-10-22(29)11-5-19)20-6-12-23(30)13-7-20/h2-13,24-26,33H,14-17H2,1H3/t24-,25+/m0/s1
InChIKeyBAFPFHVRDBRJLK-LOSJGSFVSA-N
MW468.52 g/mol
LogP4.50
Rot. Bonds7

About 2,2-bis(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methylacetamide

2,2-bis(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methylacetamide (PubChem CID 67673324) has the molecular formula C27H27F3N2O2 and a molecular weight of 468.52 g/mol. Its IUPAC name is 2,2-bis(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2,2-bis(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methylacetamide
PubChem CID67673324
Molecular FormulaC27H27F3N2O2
Molecular Weight468.52 g/mol
Exact Mass468.20
IUPAC Name2,2-bis(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methylacetamide
SMILESCN(C(=O)C(c1ccc(F)cc1)c1ccc(F)cc1)[C@H](CN1CC[C@H](O)C1)c1ccc(F)cc1
InChIInChI=1S/C27H27F3N2O2/c1-31(25(17-32-15-14-24(33)16-32)18-2-8-21(28)9-3-18)27(34)26(19-4-10-22(29)11-5-19)20-6-12-23(30)13-7-20/h2-13,24-26,33H,14-17H2,1H3/t24-,25+/m0/s1
InChIKeyBAFPFHVRDBRJLK-LOSJGSFVSA-N
XLogP4.50
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.52
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methylacetamide?
The IUPAC name of 2,2-bis(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methylacetamide (CID 67673324) is 2,2-bis(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methylacetamide.
What is the SMILES notation for 2,2-bis(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methylacetamide?
The canonical SMILES for 2,2-bis(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methylacetamide is CN(C(=O)C(c1ccc(F)cc1)c1ccc(F)cc1)[C@H](CN1CC[C@H](O)C1)c1ccc(F)cc1.
What is the InChIKey of 2,2-bis(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methylacetamide?
The InChIKey is BAFPFHVRDBRJLK-LOSJGSFVSA-N. The full InChI is InChI=1S/C27H27F3N2O2/c1-31(25(17-32-15-14-24(33)16-32)18-2-8-21(28)9-3-18)27(34)26(19-4-10-22(29)11-5-19)20-6-12-23(30)13-7-20/h2-13,24-26,33H,14-17H2,1H3/t24-,25+/m0/s1.
What are the key properties of 2,2-bis(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methylacetamide?
2,2-bis(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methylacetamide has a molecular weight of 468.52 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methylacetamide is sourced from PubChem (CID 67673324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).